2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

C13H21N3O2S — CID 51108107

IUPAC2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCn1ccc(=O)nc1SCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H21N3O2S/c1-5-13(3,4)15-11(18)9-19-12-14-10(17)7-8-16(12)6-2/h7-8H,5-6,9H2,1-4H3,(H,15,18)
InChIKeyZGCTVKQBTCFHPA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.66
Rot. Bonds6

About 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 51108107) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID51108107
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCn1ccc(=O)nc1SCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H21N3O2S/c1-5-13(3,4)15-11(18)9-19-12-14-10(17)7-8-16(12)6-2/h7-8H,5-6,9H2,1-4H3,(H,15,18)
InChIKeyZGCTVKQBTCFHPA-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide
CID 99773763
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 40705514
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 47298335
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
2-[1-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 114167625
N-(2-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124445
N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 39968687
4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554641
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 24562805

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 51108107) is 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCn1ccc(=O)nc1SCC(=O)NC(C)(C)CC.
What is the InChIKey of 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ZGCTVKQBTCFHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-5-13(3,4)15-11(18)9-19-12-14-10(17)7-8-16(12)6-2/h7-8H,5-6,9H2,1-4H3,(H,15,18).
What are the key properties of 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 51108107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).